3-bromo-6-iodo-2-methoxypyridine

• ChemBase ID: 801927
• Molecular Formular: C6H5BrINO
• Molecular Mass: 313.91847
• Monoisotopic Mass: 312.85992379
• SMILES: n1c(c(ccc1I)Br)OC
• Canonical SMILES: COc1nc(I)ccc1Br
• InChI: InChI=1S/C6H5BrINO/c1-10-6-4(7)2-3-5(8)9-6/h2-3H,1H3
• InChIKey: COKPQOLQYORIJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-iodo-2-methoxypyridine
• IUPAC Traditional name: 3-bromo-6-iodo-2-methoxypyridine
• Synonyms: 3-BROMO-6-IODO-2-METHOXYPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9226444
• LogD (pH = 7.4): 2.9226444
• Log P: 2.9226444
• Molar Refractivity: 51.3712 cm^3
• Polarizability: 20.45946 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%